methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate

C14H22N4O2 — CID 126806914

IUPACmethyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
SMILESCCN1CCCCC1CNc1cnc(C(=O)OC)cn1
InChIInChI=1S/C14H22N4O2/c1-3-18-7-5-4-6-11(18)8-16-13-10-15-12(9-17-13)14(19)20-2/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyIZDFHCPCBCONTQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.55
Rot. Bonds5

About methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate

methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate (PubChem CID 126806914) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
PubChem CID126806914
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
SMILESCCN1CCCCC1CNc1cnc(C(=O)OC)cn1
InChIInChI=1S/C14H22N4O2/c1-3-18-7-5-4-6-11(18)8-16-13-10-15-12(9-17-13)14(19)20-2/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyIZDFHCPCBCONTQ-UHFFFAOYSA-N
XLogP1.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate
CID 126820911
[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 131923003
5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122047934
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
5-[[1-[(3-chlorophenyl)methyl]piperidin-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 122053736
(2-ethylpiperidin-1-yl)-[5-(2-methoxyethylamino)pyrazin-2-yl]methanone
CID 109275908
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 28819878
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
methyl 5-(butylamino)pyrazine-2-carboxylate
CID 68565370
4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 134708598

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate (CID 126806914) is methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate is CCN1CCCCC1CNc1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate?
The InChIKey is IZDFHCPCBCONTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18-7-5-4-6-11(18)8-16-13-10-15-12(9-17-13)14(19)20-2/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate?
methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 126806914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).